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Optimization Engine

Surrogate models, active learning, and Pareto analysis

CMA-ES Optimizer

How MatCraft uses Covariance Matrix Adaptation Evolution Strategy for materials optimization.

8 min read
cma-es
optimizer
evolution-strategy

MLP Surrogate Model

Multi-layer perceptron surrogate for fast objective prediction.

7 min read
surrogate
mlp
neural-network

Active Learning

The iterative sample-train-acquire loop that drives efficient materials discovery.

7 min read
active-learning
acquisition
sample-efficiency

Pareto Analysis

Analyze and interpret multi-objective Pareto fronts from optimization campaigns.

7 min read
pareto
multi-objective
analysis

Convergence

How MatCraft detects convergence and when to stop optimization campaigns.

6 min read
convergence
stopping-criteria
hypervolume

Multi-Objective Optimization

Theory and practice of optimizing multiple conflicting material properties simultaneously.

7 min read
multi-objective
pareto
trade-offs

Hyperparameters

Tuning guide for optimizer, surrogate, and active learning hyperparameters.

7 min read
hyperparameters
tuning
configuration

Benchmarks

Performance benchmarks comparing MatCraft's optimizer against baselines.

6 min read
benchmarks
performance
comparison
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